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CHEBI:125496 - (2S)-2-[[[4-[[(2R)-2-amino-3-mercaptopropyl]amino]-2-(1-naphthalenyl)phenyl]-oxomethyl]amino]-4-methylpentanoic acid

ChEBI IDCHEBI:125496
ChEBI Name(2S)-2-[[[4-[[(2R)-2-amino-3-mercaptopropyl]amino]-2-(1-naphthalenyl)phenyl]-oxomethyl]amino]-4-methylpentanoic acid
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DownloadsMolfile
FormulaC26H31N3O3S
Net Charge0
Average Mass465.619
Monoisotopic Mass465.20861
SMILESCC(C)C[C@H](NC(=O)c1ccc(NC[C@@H](N)CS)cc1-c1cccc2ccccc12)C(=O)O
InChIInChI=1S/C26H31N3O3S/c1-16(2)12-24(26(31)32)29-25(30)22-11-10-19(28-14-18(27)15-33)13-23(22)21-9-5-7-17-6-3-4-8-20(17)21/h3-11,13,16,18,24,28,33H,12,14-15,27H2,1-2H3,(H,29,30)(H,31,32)/t18-,24+/m1/s1
InChIKeyPKMVDYSKPDHRLR-KOSHJBKYSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S)-2-[[[4-[[(2R)-2-amino-3-mercaptopropyl]amino]-2-(1-naphthalenyl)phenyl]-oxomethyl]amino]-4-methylpentanoic acid (CHEBI:125496) is a leucine derivative (CHEBI:47003)
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LSM-36998LINCS